CTC
7-CHLOROTETRACYCLINE
Created: | 1999-07-08 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 56 |
Chiral Atom Count | 5 |
Bond Count | 59 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 7-CHLOROTETRACYCLINE |
Systematic Name (OpenEye OEToolkits) | (4S,4aS,5aS,6S,12aS)-7-chloro-4-dimethylamino-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide |
Formula | C22 H23 Cl N2 O8 |
Molecular Weight | 478.88 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1c4c(c(O)cc1)C(=O)C3=C(O)C2(O)C(=O)C(=C(O)C(N(C)C)C2CC3C4(O)C)C(=O)N |
SMILES | CACTVS | 3.341 | CN(C)[CH]1[CH]2C[CH]3C(=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O)C(=O)c4c(O)ccc(Cl)c4[C]3(C)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1(c2c(ccc(c2C(=O)C3=C(C4(C(CC31)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O |
Canonical SMILES | CACTVS | 3.341 | CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(N)=O)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C[C@]1(c2c(ccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O |
InChI | InChI | 1.03 | InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1 |
InChIKey | InChI | 1.03 | CYDMQBQPVICBEU-XRNKAMNCSA-N |
Drug Info: DrugBank
DrugBank ID | DB09093 |
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Name | Chlortetracycline |
Groups |
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Description | Chlortetracycline is a _tetracycline_ antibiotic, and historically the first member of this class to be identified. It was discovered in 1945 by the scientist, Benjamin Minge Duggar, working at Lederle Laboratories under the supervision of Yellapragada Subbarow. He discovered that this antibiotic was the product of an actinomycete strain he cultured and obtained from a soil sample from a field in Missouri. The organism was named _Streptomyces aureofaciens_ due to its gold-hued color. |
Synonyms |
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Brand Names |
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Indication | Used in the manufacuring of medicated animal feeds [FDA Label]. |
Categories |
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ATC-Code |
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CAS number | 57-62-5 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
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16S ribosomal RNA | - | unknown | inhibitor |
30S ribosomal protein S3 | MGQKVHPNGIRLGIVKPWNSTWFANTKEFADNLDSDFKVRQYLTKELAKA... | unknown | inhibitor |
30S ribosomal protein S8 | MSMQDPIADMLTRIRNGQAANKAAVTMPSSKLKVAIANVLKEEGFIEDFK... | unknown | inhibitor |
30S ribosomal protein S19 | MPRSLKKGPFIDLHLLKKVEKAVESGDKKPLRTWSRRSTIFPNMIGLTIA... | unknown | inhibitor |
30S ribosomal protein S14 | MAKQSMKAREVKRVALADKYFAKRAELKAIISDVNASDEDRWNAVLKLQT... | unknown | inhibitor |
View More |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682